⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6459756 | 0.97 | CEL (0.31) | — | |
| SCHEMBL6459037 | 0.67 | NUDT1 (0.31) | — | |
| SCHEMBL6459758 | 0.63 | NUDT1 (0.34) | — | |
| SCHEMBL6459763 | 0.58 | CEL (0.33) | — | |
| SCHEMBL27524766 | 0.57 | CEL (0.38) | — | |
| SCHEMBL28247605 | 0.54 | HTR2C (0.44) | — | |
| SCHEMBL10788436 | 0.54 | PTGS2 (0.44) | — | |
| SCHEMBL2913620 | 0.54 | CHRNB4 (0.44) | — | |
| SCHEMBL3789549 | 0.54 | CEL (0.44) | — | |
| SCHEMBL4962594 | 0.54 | FEN1 (0.45) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1049704-B1 | BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS | BASELL POLYOLEFINE GMBH (DE) | 2005-07-27 | — | — | EP | disclosed |
| US-6433203-B1 | COORDINATION POLYMERIZATION CATALYST; ALPHA-OLEFIN POLYMER | BASELL TECHNOLOGY COMPANY BV (NL) | 2002-08-13 | — | — | US | disclosed |